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Title: Materials Data on Er4MgRh by Materials Project

Abstract

MgEr4Rh crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Er atoms to form a mixture of corner and face-sharing MgEr9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.06 Å. There are a spread of Mg–Er bond distances ranging from 3.30–3.53 Å. There are three inequivalent Er sites. In the first Er site, Er is bonded in a 3-coordinate geometry to three equivalent Mg, three equivalent Er, and three equivalent Rh atoms. All Er–Er bond lengths are 3.51 Å. All Er–Rh bond lengths are 2.80 Å. In the second Er site, Er is bonded in a bent 150 degrees geometry to two equivalent Mg, four equivalent Er, and two equivalent Rh atoms. All Er–Er bond lengths are 3.62 Å. Both Er–Rh bond lengths are 2.80 Å. In the third Er site, Er is bonded in a 4-coordinate geometry to two equivalent Mg, ten Er, and two equivalent Rh atoms. All Er–Er bond lengths are 3.58 Å. Both Er–Rh bond lengths are 3.50 Å. Rh is bonded in a 6-coordinate geometry to nine Er atoms.

Authors:
Publication Date:
Other Number(s):
mp-1212943
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Er4MgRh; Er-Mg-Rh
OSTI Identifier:
1744119
DOI:
https://doi.org/10.17188/1744119

Citation Formats

The Materials Project. Materials Data on Er4MgRh by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744119.
The Materials Project. Materials Data on Er4MgRh by Materials Project. United States. doi:https://doi.org/10.17188/1744119
The Materials Project. 2020. "Materials Data on Er4MgRh by Materials Project". United States. doi:https://doi.org/10.17188/1744119. https://www.osti.gov/servlets/purl/1744119. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1744119,
title = {Materials Data on Er4MgRh by Materials Project},
author = {The Materials Project},
abstractNote = {MgEr4Rh crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Er atoms to form a mixture of corner and face-sharing MgEr9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.06 Å. There are a spread of Mg–Er bond distances ranging from 3.30–3.53 Å. There are three inequivalent Er sites. In the first Er site, Er is bonded in a 3-coordinate geometry to three equivalent Mg, three equivalent Er, and three equivalent Rh atoms. All Er–Er bond lengths are 3.51 Å. All Er–Rh bond lengths are 2.80 Å. In the second Er site, Er is bonded in a bent 150 degrees geometry to two equivalent Mg, four equivalent Er, and two equivalent Rh atoms. All Er–Er bond lengths are 3.62 Å. Both Er–Rh bond lengths are 2.80 Å. In the third Er site, Er is bonded in a 4-coordinate geometry to two equivalent Mg, ten Er, and two equivalent Rh atoms. All Er–Er bond lengths are 3.58 Å. Both Er–Rh bond lengths are 3.50 Å. Rh is bonded in a 6-coordinate geometry to nine Er atoms.},
doi = {10.17188/1744119},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}